Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.

Holger Gohlke David A. Case

Published in: J. Comput. Chem. (2004)

Keyphrases

free energy
upper bound
simulated annealing
belief propagation
fixed point
protein structure
posterior distribution
competitive learning
protein sequences
hidden markov models
approximate inference
machine learning
bayesian networks
objective function
graphical models